N-Decanoyl-L-histidine
Basic information
- CAS
55258-10-1- Standard SMILES
CCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O- InChIKey
BKVABDKAKQZLJF-AWEZNQCLSA-N- Molecular formula
- C16H27N3O3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.20524173
Names & identifiers
- Preferred name
- N-Decanoyl-L-histidine
- IUPAC
- (2S)-2-(decanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Names & synonyms
N-Decanoyl-L-histidine55258-10-1DTXSID30628397RefChem:363824DTXCID50579150(S)-2-Decanamido-3-(1H-imidazol-4-yl)propanoic acidN-decanoyl histidineN-decanoyl-histidineNAHis 10:0SCHEMBL13279668SCHEMBL13279669LMFA08020293
Database identifiers
- CAS
55258-10-1- PubChem CID
- 22804201
- DTXSID
DTXSID30628397
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amino acids [FA0805]
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Related reactions
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Compound notes
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